SCHEMBL22761208

SCHEMBL22761208

N#Cc1cccc(-c2ccc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C#N)c2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.40
ADORA1 P30542 6/20 0.38
ADORA2A P29274 6/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
ADORA2B P29275 3/20 0.36
GRM5 P41594 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRM2 Q14416 1/20 0.35
EIF4E P06730 1/20 0.35
MAOB P27338 1/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22760997 0.97 ALDH1A3 (0.39) ALDH1A3ADORA1ADORA2AGABRA1GABRG2
SCHEMBL22760998 0.92 ALDH1A3 (0.40) ALDH1A3ADORA1ADORA2AGABRA1GABRG2
SCHEMBL22760999 0.91 ALDH1A3 (0.39) ALDH1A3ADORA1ADORA2AGABRA1GABRG2
SCHEMBL21546514 0.90 CHEK1 (0.38) ALDH1A3ADORA1ADORA2AGABRA1GABRG2
SCHEMBL21546960 0.89 CYP1A2 (0.43) ALDH1A3ADORA1ADORA2AADORA2BKDM4E
SCHEMBL22760695 0.88 MAP4K4 (0.38) ALDH1A3ADORA1ADORA2APDK2USP2
SCHEMBL22822433 0.88 CTSS (0.39) ALDH1A3ADORA1ADORA2AADORA2BPDK2
SCHEMBL22760976 0.87 GABRG2 (0.39) ALDH1A3ADORA1ADORA2AGABRA1GABRG2
SCHEMBL22157225 0.87 HPGD (0.41) ADORA1ADORA2AADORA2BKDM4EHPGD
SCHEMBL21546968 0.87 CHEK1 (0.36) ALDH1A3ADORA1ADORA2AGABRA1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ALDH1A3 39/4885ADORA1 4552/4885ADORA2A 3953/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885ADORA1 4552/4885ADORA2A 3953/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.